(5S,7R)-3-(4-nitropyrazol-1-yl)adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-(4-nitropyrazol-1-yl)adamantane-1-carboxylate Openeye Name: (5S,7R)-3-(4-nitropyrazol-1-yl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-(4-nitro-1-pyrazolyl)-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-(4-nitropyrazol-1-yl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-(4-nitropyrazol-1-yl)adamantane-1-carboxylate Formula: C14H16N3O4- MolecularWeight: 290.29454

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=C(C=N4)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)N4C=C(C=N4)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H17N3O4/c18-12(19)13-2-9-1-10(3-13)5-14(4-9,8-13)16-7-11(6-15-16)17(20)21/h6-7,9-10H,1-5,8H2,(H,18,19)/p-1/t9-,10+,13?,14?